Difference between revisions of "CHEM-6111"
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=== Advanced Data Analysis (Igor, 4 weeks) === | === Advanced Data Analysis (Igor, 4 weeks) === | ||
* Numerical solution of ODEs | * Numerical solution of ODEs | ||
| − | * | + | ** NR Ch. 17 (Runge-Kutta) |
| + | * convolution | ||
| + | ** NR Ch. 13.1 | ||
* Montecarlo simulations | * Montecarlo simulations | ||
| + | ** Allen Ch. 4, 7.3 | ||
| + | ** NR Ch. 7.3, 7,7, 7.9, 15.8 | ||
* Positive Matrix Factorization | * Positive Matrix Factorization | ||
* Frequency analysis and FFT | * Frequency analysis and FFT | ||
| + | ** Allen Ch. 6.3, 6.5 | ||
| + | ** NR Ch. 12, 13 | ||
=== Data Acquisition (Labview, 3 weeks) === | === Data Acquisition (Labview, 3 weeks) === | ||
Revision as of 12:23, 20 August 2012
Contents
CHEM 6111 - Special Topics - Data Analysis and Acquisition
This 3-credit course will be offered by Dr. Ingrid Ulbrich (with assistance from Prof. Jose L. Jimenez) in Fall of 2012. It will be a required course for 1st year analytical chemistry students, and optional for others.
Course Information
- Lectures: Tue & Thur 12:30 pm - 1:45 pm, Ekeley W166
- Office Hours: TBD
- Required Texts
- Taylor, Error Analysis, 2nd. Ed., 1997. ISBN: 093570275X, on reserve at Norlin
- Press, Teukolsky, Vetterling, and Flannery, Numerical Recipes
- 2nd. Ed. free online You can read the version for any of the coding languages; we'll focus on the discussion, not the code.
- 3rd. Ed. available for purchase online or book, 2007. ISBN: 9780521884075, on reserve at Norlin.
- Allen and Tildesley, Computer Simulation of Liquids, 1987. Selections will be posted here.
Lectures, Reading, and Homework
Introduction to computer graphing, functions and programming (Igor, 2 weeks)
- Igor Resources
- Igor_Quick_Reference. A page in the wiki with most of the the commands that are introduced in Getting Started, but aren't easy to find there.
- Online version of the Igor User's Manual that also has a link to the pdf version.
- pdf version also available inside Igor under Help
Basic Data Analysis (Igor, 6 weeks)
- propagation of errors
- Taylor Ch. 3
- interpolation,
- area integrals
- NR Ch. 4
- between markers
- multidimensional data handling
- Statistics:
- calculating statistical parameters
- distributions
- Taylor Ch. 5 (normal), 10 (binomial), 11 (Poisson)
- precision, uncertainty
- Taylor Ch. 2
- ANOVA
- Stat parameters NR Ch. 14
- Correlation and regressions (variants)
- Taylor Ch. 9
- NR Ch. 13.2, 14.5
- centered (Pearson's) vs uncentered correlation
- NR Ch. 15.0-3
- vertical vs orthogonal distance regression
- squared vs absolute value errors for regression
- chi2 Taylor Ch. 12
- weighted vs unweighted regression
- boxcar and weighted smoothing
- Allen Ch. 6.5, NR Ch. 14.9
- propagation of errors
- Signal-to-noise, noise reducing measures, signal enhancing measures, numerical high pass filters (freq response in smoothing), low pass filters etc.
- Fitting of custom functions
- fitting known spectra to total spectrum
- cubic spline fits
- fixed x wave vs. free x wave
Advanced Data Analysis (Igor, 4 weeks)
- Numerical solution of ODEs
- NR Ch. 17 (Runge-Kutta)
- convolution
- NR Ch. 13.1
- Montecarlo simulations
- Allen Ch. 4, 7.3
- NR Ch. 7.3, 7,7, 7.9, 15.8
- Positive Matrix Factorization
- Frequency analysis and FFT
- Allen Ch. 6.3, 6.5
- NR Ch. 12, 13
Data Acquisition (Labview, 3 weeks)
- Fundamentals of data acquisition
- Data I/O, parsing of text files, write to file etc.
- Labview: introduction and programming
- Data acquisition problems brought by students from their research
Additional Resources
- Additional Texts
- Building Scientific Apparatus (Moore, Davis, and Coplan)
